Pendolmycin
TL;DR: Pendolmycin (CAS 119375-01-8) is a chemical compound with molecular formula C22H31N3O2 and molecular weight 369.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(10S,13S)-13-(hydroxymethyl)-9-methyl-5-(2-methylbut-3-en-2-yl)-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4,6,8(15)-tetraen-11-one
Also Known As: Pendolmycin, (-)-Pendolmycin, (10S,13S)-13-(hydroxymethyl)-9-methyl-5-(2-methylbut-3-en-2-yl)-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4,6,8(15)-tetraen-11-one, 3H-Pyrrolo(4,3,2-gh)-1,4-benzodiazonin-3-one, 9-(1,1-dimethyl-2-propenyl)-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-, (2S-(2R*,5R*))-, (10S,13S)-13-(hydroxymethyl)-9-methyl-5-(2-methylbut-3-en-2-yl)-10-(propan-2-yl)-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4,6,8(15)-tetraen-11-one
| Molecular Formula | C22H31N3O2 |
|---|---|
| Molecular Weight | 369.24 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 68.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.24164 |
| Heavy Atoms | 27 |
| Complexity | 562.0 |
Chemical Identifiers
| CAS Number | 119375-01-8 |
|---|---|
| SMILES | CC(C)[C@H]1C(=O)N[C@@H](CC2=CNC3=C(C=CC(=C23)N1C)C(C)(C)C=C)CO |
| InChIKey | JPJWIAYMFHOJRY-YWZLYKJASA-N |
Product Overview
Pendolmycin (CAS 119375-01-8), with molecular formula C22H31N3O2 and molecular weight 369.24 g/mol. IUPAC: (10S,13S)-13-(hydroxymethyl)-9-methyl-5-(2-methylbut-3-en-2-yl)-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4,6,8(15)-tetraen-11-one.
Chemical Property Profile of Pendolmycin
Property Insights of Pendolmycin
The XLogP value of 4.2 indicates that Pendolmycin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Pendolmycin. Following Lipinski's Rule of Five, Pendolmycin has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pendolmycin?
The CAS number of Pendolmycin is 119375-01-8.
What is the molecular formula of Pendolmycin?
The molecular formula of Pendolmycin is C22H31N3O2.
What is the molecular weight of Pendolmycin?
The molecular weight of Pendolmycin is 369.24 g/mol.
Where can I buy Pendolmycin?
You can request a quote for Pendolmycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pendolmycin?
Yes, KEHONG BIO provides custom synthesis services for Pendolmycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.